SCHEMBL29335366

SCHEMBL29335366

COc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TAAR1 Q96RJ0 1/20 0.48
BMP1 P13497 2/20 0.47
APLNR P35414 1/20 0.42
CYP3A4 P08684 1/20 0.41
SLC2A1 P11166 1/20 0.40
BACE1 P56817 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
NPBWR1 P48145 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PYCR1 P32322 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20871285 0.88 TAAR1 (0.57) TAAR1APLNRALDH1A1PYCR1SLC6A4
SCHEMBL20871399 0.88 MEN1 (0.47) MEN1KMT2ATAAR1BMP1APLNR
SCHEMBL22340953 0.85 MEN1 (0.48) MEN1KMT2ATAAR1BMP1CYP3A4
SCHEMBL20871297 0.84 HTR2A (0.47) TAAR1SLC2A1LTB4R2NPBWR1SLC6A2
SCHEMBL29335353 0.84 TAAR1 (0.51) MEN1KMT2ATAAR1APLNRALDH1A1
SCHEMBL26695023 0.82 BMP1 (0.48) MEN1KMT2ABMP1APLNRCYP3A4
SCHEMBL20871284 0.82 TAAR1 (0.52) TAAR1APLNRALDH1A1SLC6A4
SCHEMBL22340686 0.82 TAAR1 (0.52) TAAR1APLNRALDH1A1SLC6A4
SCHEMBL20871276 0.81 TAAR1 (0.51) MEN1KMT2ATAAR1APLNRALDH1A1
SCHEMBL22340682 0.81 TAAR1 (0.51) TAAR1APLNRALDH1A1PYCR1SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed